SCHEMBL4690137

SCHEMBL4690137

NN(c1ccccc1)n1cccn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP2C9 P11712 2/20 0.36
CYP2C19 P33261 2/20 0.36
NPC1 O15118 1/20 0.32
POLB P06746 1/20 0.31
ALDH1A1 P00352 3/20 0.31
KDM4E B2RXH2 1/20 0.31
MAPT P10636 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
KCNN4 O15554 1/20 0.31
KCNA3 P22001 1/20 0.31
CDK2 P24941 1/20 0.31
GSK3B P49841 1/20 0.31
DYRK1A Q13627 1/20 0.31
NOTUM Q6P988 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1836277 0.78 TSHR (0.38) TSHRL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL9036999 0.78 TSHR (0.33) TSHRL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL1667247 0.75 TSHR (0.31) TSHR
SCHEMBL2200339 0.75 NPSR1 (0.38) TSHRL3MBTL1ALDH1A1KDM4ELMNA
SCHEMBL398537 0.74 NPSR1 (0.34) TSHRL3MBTL1CYP3A4CYP2C19POLB
SCHEMBL15568994 0.73 SLC6A2 (0.42) TSHRALDH1A1
SCHEMBL6846805 0.73 TSHR (0.34) TSHRL3MBTL1MAPK1CYP1A2CYP3A4
SCHEMBL27509696 0.73 KDM4E (0.35) TSHRL3MBTL1MAPK1ALDH1A1KDM4E
SCHEMBL27712800 0.71 ELANE (0.37) TSHRL3MBTL1POLBALDH1A1KDM4E
SCHEMBL11342832 0.70 SLC6A2 (0.46) TSHRL3MBTL1MAPK1CYP1A2POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1283448-B1 Electrophotographic organophotoreceptors with charge transport compounds SAMSUNG ELECTRONICS CO LTD (KR) 2008-11-05 EP disclosed
US-7358014-B2 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-04-15 US disclosed
US-20050112490-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG ELECTRONICS CO., LTD. 2005-05-26 US disclosed
US-20030113132-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SAMSUNG INFORMATION SYSTEMS AMERICA 2003-06-19 US disclosed
EP-1283448-A2 Electrophotographic organophotoreceptors with charge transport compounds Samsung Electronics Co., Ltd. (KR) 2003-02-12 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20030113132-A1 Electrophotographic organophotoreceptors with novel charge transport compounds SLC43A1, SLC18A2, SLC1A1 TSHR 955/4885L3MBTL1 3895/4885MAPK1 2536/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.